1-[furan-2-ylmethyl(methyl)amino]butan-2-one

C10H15NO2 — CID 62038679

IUPAC1-[furan-2-ylmethyl(methyl)amino]butan-2-one
SMILESCCC(=O)CN(C)Cc1ccco1
InChIInChI=1S/C10H15NO2/c1-3-9(12)7-11(2)8-10-5-4-6-13-10/h4-6H,3,7-8H2,1-2H3
InChIKeyNOCYHOACAVFOFO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.69
Rot. Bonds5

About 1-[furan-2-ylmethyl(methyl)amino]butan-2-one

1-[furan-2-ylmethyl(methyl)amino]butan-2-one (PubChem CID 62038679) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl(methyl)amino]butan-2-one.

Molecular Properties

Compound Name1-[furan-2-ylmethyl(methyl)amino]butan-2-one
PubChem CID62038679
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-[furan-2-ylmethyl(methyl)amino]butan-2-one
SMILESCCC(=O)CN(C)Cc1ccco1
InChIInChI=1S/C10H15NO2/c1-3-9(12)7-11(2)8-10-5-4-6-13-10/h4-6H,3,7-8H2,1-2H3
InChIKeyNOCYHOACAVFOFO-UHFFFAOYSA-N
XLogP1.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[furan-2-ylmethyl(methyl)amino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 62051012
2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine
CID 103067643
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528
2-[furan-2-ylmethyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134048
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 55056222
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl(methyl)amino]butan-2-one?
The IUPAC name of 1-[furan-2-ylmethyl(methyl)amino]butan-2-one (CID 62038679) is 1-[furan-2-ylmethyl(methyl)amino]butan-2-one.
What is the SMILES notation for 1-[furan-2-ylmethyl(methyl)amino]butan-2-one?
The canonical SMILES for 1-[furan-2-ylmethyl(methyl)amino]butan-2-one is CCC(=O)CN(C)Cc1ccco1.
What is the InChIKey of 1-[furan-2-ylmethyl(methyl)amino]butan-2-one?
The InChIKey is NOCYHOACAVFOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9(12)7-11(2)8-10-5-4-6-13-10/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-[furan-2-ylmethyl(methyl)amino]butan-2-one?
1-[furan-2-ylmethyl(methyl)amino]butan-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-ylmethyl(methyl)amino]butan-2-one is sourced from PubChem (CID 62038679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).